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2-(3-butoxyphenyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thienyl]-4-quinolinecarboxamide
SpectraBase Compound ID 1aGeNSojp2g
InChI InChI=1S/C32H25Cl2N3O2S/c1-3-4-14-39-22-9-7-8-20(15-22)29-17-25(23-10-5-6-11-28(23)36-29)31(38)37-32-26(18-35)30(19(2)40-32)24-13-12-21(33)16-27(24)34/h5-13,15-17H,3-4,14H2,1-2H3,(H,37,38)
InChIKey QPJAOHWWEGZGSA-UHFFFAOYSA-N
Mol Weight 586.5 g/mol
Molecular Formula C32H25Cl2N3O2S
Exact Mass 585.104454 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CQHuqp4pcA0
Name 2-(3-butoxyphenyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thienyl]-4-quinolinecarboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C32H25Cl2N3O2S/c1-3-4-14-39-22-9-7-8-20(15-22)29-17-25(23-10-5-6-11-28(23)36-29)31(38)37-32-26(18-35)30(19(2)40-32)24-13-12-21(33)16-27(24)34/h5-13,15-17H,3-4,14H2,1-2H3,(H,37,38)
InChIKey QPJAOHWWEGZGSA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1801
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9615915; Labnumber: AM-AC/0006077; UZI_ID: UZI-001803
Temperature 305 °C